9-[(4-chloranyl-3-nitro-phenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[(4-chloranyl-3-nitro-phenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[(4-chloro-3-nitro-phenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(4-chloro-3-nitrophenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(4-chloro-3-nitrophenyl)methyl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(4-chloro-3-nitro-benzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C15H12ClF3N6O2 MolecularWeight: 400.74299

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H12ClF3N6O2/c1-23(2)12-11-13(22-14(21-12)15(17,18)19)24(7-20-11)6-8-3-4-9(16)10(5-8)25(26)27/h3-5,7H,6H2,1-2H3